362654
2-Fluoro-5-nitrobenzoic acid
98%
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About This Item
Linear Formula:
FC6H3(NO2)CO2H
CAS Number:
Molecular Weight:
185.11
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
98%
Form:
solid
Quality Segment
assay
98%
form
solid
mp
142-144 °C (lit.)
functional group
carboxylic acid, fluoro, nitro
SMILES string
OC(=O)c1cc(ccc1F)[N+]([O-])=O
InChI
1S/C7H4FNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,(H,10,11)
InChI key
ICXSHFWYCHJILC-UHFFFAOYSA-N
General description
2-Fluoro-5-nitrobenzoic acid is reported to react with an aldehyde, isonitrile and a primary amine tethered to a Boc-protected internal amino or hydroxyl nucleophile, to afford the Ugi product.
Application
2-Fluoro-5-nitrobenzoic acid may be used in the synthesis of:
- dibenz[b,f]oxazepin-11(10H)-ones, via the nucleophilic aromatic substitution (SNAr) of fluorine in 2-fluoro-5-nitrobenzoic acid with the OH of various 2-aminophenols on solid support
- synthesis of substituted dibenzazocines on solid support, via SNAr of fluorine in 2-fluoro-5-nitrobenzoic acid with the OH function of the immobilized polysubstituted phenols
- in the synthesis of oxazepines
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
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